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Combination of Molecular Dynamics Method and 3D-RISM Theory for Conformational Sampling of Flexible
【机 构】
:
Department of Theoretical and Computational Molecular Science,Institute for Molecular Science,38 Nis
【出 处】
:
The International Conference on Theory and Applications of C
【发表日期】
:
2008年1期
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Development of Algorithms for the Direct Complete Active Space Self-Consistent Field (CASSCF) Method
会议